SCHEMBL7707965

SCHEMBL7707965

CCCCCCCC(=O)c1ccc(CCC(N)(CCO)CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.59
S1PR1 P21453 4/20 0.59
S1PR4 O95977 3/20 0.59
S1PR3 Q99500 3/20 0.59
S1PR5 Q9H228 2/20 0.59
SGPL1 O95470 1/20 0.59
GPR183 P32249 1/20 0.59
CERS2 Q96G23 1/20 0.59
THRA P10827 4/20 0.53
THRB P10828 4/20 0.53
HSD17B3 P37058 5/20 0.52
SPHK2 Q9NRA0 2/20 0.52
SPHK1 Q9NYA1 1/20 0.52
S1PR2 O95136 2/20 0.52
ENPP2 Q13822 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15960547 0.92 S1PR1 (0.71) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL27583219 0.92 S1PR1 (0.71) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL6259213 0.91 S1PR1 (0.72) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL7613403 0.90 S1PR1 (0.63) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL7622031 0.90 S1PR1 (0.63) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL7708058 0.87 S1PR1 (0.53) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL8496304 0.84 S1PR1 (0.66) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL8499768 0.84 S1PR1 (0.66) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL7621778 0.84 TNNC1 (0.56) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL8500411 0.83 S1PR1 (0.68) TNNC1S1PR1S1PR4S1PR3S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed